Geometry & MOs

Info

ID:	73788
PubChem CID:	48420431
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	8.48
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCCN2C=NC=N2)N3CCNC3=O

DOS

IR

Vibrations